CHEMBL3797876


SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
InChIKey AFWAVLNIGSUCHI-HNNXBMFYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 319.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Mouse Adrenoceptors A pKi 6.8 6.8 6.8 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.52 6.52 6.52 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.05 6.05 6.05 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.01 7.01 7.01 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.66 5.66 5.66 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.19 6.28 6.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 7.1 7.25 7.4 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 6.57 6.86 7.2 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.77 6.77 6.77 ChEMBL